[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-(2-methyl-N-methylsulfonyl-anilino)acetate CAS Name: 2-(2-methyl-N-methylsulfonylanilino)acetic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate Traditional Name: 2-(N-mesyl-2-methyl-anilino)acetic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)OCC(=O)NC2=C(C=CS2)C#N)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)OCC(=O)NC2=C(C=CS2)C#N)S(=O)(=O)C

InChI

InChI=1S/C17H17N3O5S2/c1-12-5-3-4-6-14(12)20(27(2,23)24)10-16(22)25-11-15(21)19-17-13(9-18)7-8-26-17/h3-8H,10-11H2,1-2H3,(H,19,21)